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Ligand

NameCHEMBL2370896
Molecular formulaC48H72N12O7
IUPAC name(2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-(2,2-dimethylpropanoylamino)-3-(1H-imidazol-5-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]propanoyl]amino]-N-[2-[[(2S)-3-(1H-imidazol-5-yl)-1-[[(4R)-2-methylnonan-4-yl]amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]-3-methylbutanamide
Molecular weight929.181
Hydrogen bond acceptor9
Hydrogen bond donor10
XlogP5.3
SynonymsN/A
Inchi KeyPRGIRFOKWXVMRR-HZKSPOMMSA-N
Inchi IDInChI=1S/C48H72N12O7/c1-10-11-12-15-32(18-28(2)3)56-44(64)38(20-33-23-49-26-53-33)57-40(61)25-52-46(66)41(29(4)5)60-42(62)30(6)55-43(63)37(19-31-22-51-36-17-14-13-16-35(31)36)58-45(65)39(21-34-24-50-27-54-34)59-47(67)48(7,8)9/h13-14,16-17,22-24,26-30,32,37-39,41,51H,10-12,15,18-21,25H2,1-9H3,(H,49,53)(H,50,54)(H,52,66)(H,55,63)(H,56,64)(H,57,61)(H,58,65)(H,59,67)(H,60,62)/t30-,32+,37-,38-,39+,41-/m0/s1
PubChem CID73356170
ChEMBLCHEMBL2370896
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 5 hydrogen bond donor.
This ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
266863Gastrin-releasing peptide receptorP52500GrprRattus norvegicus (Rat)384

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